PDB: 160395 件ウェブページステータス検索Chemie searchBIRD

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4QJM	Crystal structure of human carbonic anhydrase isozyme II with inhibitor 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, BICINE, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-06-04 公開日 2015-04-15 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
3F2P	Thermolysin inhibition 分子名称: 3-methyl-2-(propanoyloxy)benzoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ... 著者 Englert, L, Heine, A, Klebe, G. 登録日 2008-10-30 公開日 2009-11-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Fragment-Based Lead Discovery: Screening and Optimizing Fragments for Thermolysin Inhibition. Chemmedchem, 5, 2010
4QIY	Crystal structure of human carbonic anhydrase isozyme II with inhibitor 分子名称: 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... 著者 Manakova, E, Smirnov, A, Grazulis, S. 登録日 2014-06-03 公開日 2015-04-15 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
3F28	Thermolysin inhibition 分子名称: 2-[(cyclopropylcarbonyl)oxy]-3-methylbenzoic acid, CALCIUM ION, Thermolysin, ... 著者 Englert, L, Heine, A, Klebe, G. 登録日 2008-10-29 公開日 2009-11-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Fragment-Based Lead Discovery: Screening and Optimizing Fragments for Thermolysin Inhibition. Chemmedchem, 5, 2010
3FCQ	Thermolysin inhibition 分子名称: 2-(acetyloxy)-3-methylbenzoic acid, CALCIUM ION, Thermolysin, ... 著者 Steuber, H, Englert, L, Silber, K, Heine, A, Klebe, G. 登録日 2008-11-22 公開日 2009-12-08 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Fragment-Based Lead Discovery: Screening and Optimizing Fragments for Thermolysin Inhibition. Chemmedchem, 5, 2010
3W5T	Crystal structure of complexes of vitamin D receptor ligand binding domain with lithocholic acid derivatives 分子名称: (3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor 著者 Masuno, H, Ikura, T, Ito, N. 登録日 2013-02-06 公開日 2013-06-26 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Crystal structures of complexes of vitamin D receptor ligand-binding domain with lithocholic acid derivatives. J.Lipid Res., 54, 2013
4QTL	Crystal structure of human carbonic anhydrase isozyme II with inhibitor 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-07-08 公開日 2015-04-15 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
6N9P	Discovery of affinity-based probes for Btk occupancy assay 分子名称: N-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide, Tyrosine-protein kinase BTK 著者 Mochalkin, I. 登録日 2018-12-03 公開日 2019-02-06 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Discovery of Affinity-Based Probes for Btk Occupancy Assays. ChemMedChem, 14, 2019
6N5C	Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 5-PCF2Am-InsP5 分子名称: (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, 1,2-ETHANEDIOL, ACETATE ION, ... 著者 Wang, H, Shears, S.B, Riley, A, Potter, B. 登録日 2018-11-21 公開日 2019-08-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Synthesis of an alpha-phosphono-alpha , alpha-difluoroacetamide analogue of the diphosphoinositol pentakisphosphate 5-InsP7. Medchemcomm, 10, 2019
6HLD	X-ray structure of furin in complex with the cyclic peptide c[succinyl-Phe-2-Nal-(Arg)3-Lys]-Lys-4-Amba 分子名称: ALN-ARG-ARG-ARG-SLL-LYS-00S, CALCIUM ION, CHLORIDE ION, ... 著者 Dahms, S.O. 登録日 2018-09-11 公開日 2019-02-06 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019
6TET	The structure of CYP121 in complex with inhibitor L21 分子名称: 1,2-ETHANEDIOL, 1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole, Mycocyclosin synthase, ... 著者 Adam, S, Koehnke, J. 登録日 2019-11-12 公開日 2021-05-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.49986887 Å) 主引用文献 Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors. Chemmedchem, 16, 2021
6TEV	The structure of CYP121 in complex with inhibitor L44 分子名称: 1,2-ETHANEDIOL, 1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole, Mycocyclosin synthase, ... 著者 Adam, S, Koehnke, J. 登録日 2019-11-12 公開日 2021-05-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.70001268 Å) 主引用文献 Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors. Chemmedchem, 16, 2021
6TE7	The structure of CYP121 in complex with inhibitor S2 分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol, Mycocyclosin synthase, ... 著者 Adam, S, Koehnke, J. 登録日 2019-11-11 公開日 2021-05-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.50001824 Å) 主引用文献 Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors. Chemmedchem, 16, 2021
1KYD	AP-2 CLATHRIN ADAPTOR ALPHA-APPENDAGE IN COMPLEX WITH EPSIN DPW PEPTIDE 分子名称: ALPHA-ADAPTIN C, EH domain-binding mitotic phosphoprotein, SULFATE ION 著者 Brett, T.J, Traub, L.M, Fremont, D.H. 登録日 2002-02-04 公開日 2002-06-12 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Accessory protein recruitment motifs in clathrin-mediated endocytosis. Structure, 10, 2002
1KY6	AP-2 CLATHRIN ADAPTOR ALPHA-APPENDAGE IN COMPLEX WITH EPSIN DPW PEPTIDE 分子名称: ALPHA-ADAPTIN C, EH DOMAIN BINDING PROTEIN EPSIN, SULFATE ION 著者 Brett, T.J, Traub, L.M, Fremont, D.H. 登録日 2002-02-03 公開日 2002-06-12 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Accessory protein recruitment motifs in clathrin-mediated endocytosis. Structure, 10, 2002
6HZD	X-ray structure of furin in complex with the cyclic inhibitor c[glutaryl-Arg-Arg-Arg-Lys]-Arg-4-Amba 分子名称: ARG-ARG-ARG-LYS-ARG-00S, CALCIUM ION, CHLORIDE ION, ... 著者 Dahms, S.O. 登録日 2018-10-23 公開日 2019-02-06 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019
6HZC	X-ray structure of furin in complex with the cyclic inhibitor c[glutaryl-BVK-Lys-Arg-Arg-Tle-Lys]-4-Amba 分子名称: 2-[4-(aminomethyl)phenyl]ethanoic acid, CALCIUM ION, CHLORIDE ION, ... 著者 Dahms, S.O. 登録日 2018-10-23 公開日 2019-02-06 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019
6HZB	X-ray structure of furin in complex with the cyclic inhibitor c[glutaryl-Arg-Arg-Lys]-Lys-4-Amba 分子名称: ARG-ARG-LYS-LYS-00S, CALCIUM ION, CHLORIDE ION, ... 著者 Dahms, S.O. 登録日 2018-10-23 公開日 2019-02-06 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019
3W5Q	Crystal structure of complexes of vitamin D receptor ligand binding domain with lithocholic acid derivatives 分子名称: (5beta,9beta)-3-oxocholan-24-oic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor 著者 Masuno, H, Ikura, T, Ito, N. 登録日 2013-02-05 公開日 2013-06-26 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structures of complexes of vitamin D receptor ligand-binding domain with lithocholic acid derivatives. J.Lipid Res., 54, 2013
3W5R	Crystal structure of complexes of vitamin D receptor ligand binding domain with lithocholic acid derivatives 分子名称: (3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor 著者 Masuno, H, Ikura, T, Ito, N. 登録日 2013-02-06 公開日 2013-06-26 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structures of complexes of vitamin D receptor ligand-binding domain with lithocholic acid derivatives. J.Lipid Res., 54, 2013
1GK7	HUMAN VIMENTIN COIL 1A FRAGMENT (1A) 分子名称: SULFATE ION, VIMENTIN 著者 Strelkov, S.V, Herrmann, H, Geisler, N, Zimbelmann, R, Aebi, U, Burkhard, P. 登録日 2001-08-08 公開日 2002-03-15 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Conserved Segments 1A and 2B of the Intermediate Filament Dimer: Their Atomic Structures and Role in Filament Assembly. Embo J., 21, 2002
1KY7	THE AP-2 CLATHRIN ADAPTOR ALPHA-APPENDAGE IN COMPLEX WITH AMPHIPHYSIN FXDXF 分子名称: ALPHA-ADAPTIN C, AMPHIPHYSIN 著者 Brett, T.J, Traub, L.M, Fremont, D.H. 登録日 2002-02-03 公開日 2002-06-12 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Accessory protein recruitment motifs in clathrin-mediated endocytosis. Structure, 10, 2002
1KYU	AP-2 CLATHRIN ADAPTOR ALPHA-APPENDAGE IN COMPLEX WITH EPS15 DPF PEPTIDE 分子名称: ALPHA-ADAPTIN C, EPIDERMAL GROWTH FACTOR RECEPTOR SUBSTRATE 15 著者 Brett, T.J, Traub, L.M, Fremont, D.H. 登録日 2002-02-05 公開日 2002-06-12 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Accessory protein recruitment motifs in clathrin-mediated endocytosis. Structure, 10, 2002
3V35	Aldose reductase complexed with a nitro compound 分子名称: 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate, Aldose reductase, DIMETHYLFORMAMIDE, ... 著者 Zheng, X, Zhang, L, Chen, Y, Luo, H, Hu, X. 登録日 2011-12-13 公開日 2012-08-29 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Partial inhibition of aldose reductase by nitazoxanide and its molecular basis. Chemmedchem, 7, 2012
7UAH	Macrocyclic plasmin inhibitor 分子名称: (2~{R})-butane-1,2-diol, (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(3-chlorobenzene-1-sulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide, Plasminogen, ... 著者 Guojie, W. 登録日 2022-03-12 公開日 2023-03-15 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Synthesis and Structural Characterization of Macrocyclic Plasmin Inhibitors. Chemmedchem, 18, 2023

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